SCHEMBL16649261

SCHEMBL16649261

COc1ccccc1Oc1nc(Cl)ncc1C(=O)Nc1c(Cl)cccc1Cl

nearest known ligand 0.52

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
▸ PIN1 Q13526 2/20 0.50
▸ CHRNA7 P36544 1/20 0.48
▸ MAPT P10636 2/20 0.46
▸ MEN1 O00255 2/20 0.46
▸ KMT2A Q03164 2/20 0.46
▸ KEAP1 Q14145 1/20 0.46
▸ NFE2L2 Q16236 1/20 0.46
▸ SMN1; SMN2 Q16637 1/20 0.45
▸ PDE4D Q08499 4/20 0.45
▸ PDE4B Q07343 3/20 0.44
▸ PDE4A P27815 2/20 0.44
▸ PDE4C Q08493 2/20 0.44
▸ RXFP1 Q9HBX9 2/20 0.44
▸ NPC1 O15118 2/20 0.44
▸ RAB9A P51151 1/20 0.44
▸ PDE3B Q13370 1/20 0.43
▸ PDE11A Q9HCR9 1/20 0.43
▸ LCK P06239 1/20 0.43
▸ POLB P06746 1/20 0.43
▸ CASP3 P42574 1/20 0.43

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL30962894 0.88 CHRNA7 (0.48) PIN1CHRNA7MAPTMEN1KMT2A
SCHEMBL30962730 0.88 POLB (0.46) CHRNA7MAPTMEN1KMT2AKEAP1
SCHEMBL30962582 0.81 CHRNA7 (0.41) CHRNA7MAPTMEN1KMT2AKEAP1
SCHEMBL30962627 0.80 PDE4A (0.43) CHRNA7MAPTMEN1KMT2AKEAP1
SCHEMBL30962815 0.79 CHRNA7 (0.40) PIN1CHRNA7MAPTMEN1KMT2A
SCHEMBL30962881 0.79 NFKB1 (0.48) PDE4DPDE4BPDE4APDE4CPDE3B
SCHEMBL30962741 0.77 PDE4A (0.43) MAPTPDE4DPDE4BPDE4APDE4C
SCHEMBL4499760 0.77 MAP3K7 (0.60) LCK
SCHEMBL30962863 0.76 NFKB1 (0.42) PIN1MAPTMEN1KMT2ASMN1; SMN2
SCHEMBL2946609 0.76 NFKB1 (0.52) CHRNA7MAPTMEN1KMT2ASMN1; SMN2

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 — — EP claimed
EP-2526096-B1 4-PHENOXY-NICOTINAMIDE OR 4-PHENOXY-PYRIMIDINE-5-CARBOXAMIDE COMPOUNDS HOFFMANN LA ROCHE (CH) 2015-04-22 — — EP disclosed
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